采用荧光光谱法研究了新合成具有分子内电荷转移性质的硼酸化合物:对-二苯氨基联二苯基硼酸(DBBA)与β-环糊精(-βCD)、羧甲基-β-环糊精(CM--βCD)、磺丁醚-β-环糊精(SBE--βCD)的包合行为,且测定了其包合物的包合常数,结果表明:在DBBA溶液中加入β-环糊精及其衍生物时,其荧光光谱发生蓝移、荧光强度增加,环糊精对DBBA的包合能力的大小为SBE--βCD>CM--βCD>-βCD.同时,采用分子力学计算和计算机模拟技术预测了DBBA与-βCD形成包合物的最优化构型. Fluorescence spectroscopy was used to study the new synthesis of boronic acid compounds with intramolecular charge-transfer properties: DBBA and β-cyclodextrin (-βCD), carboxymethyl-β-cyclodextrin Β - Cyclodextrin (SBE - βCD), and the inclusion constants of inclusion complexes were determined. The results showed that the addition of β - Cyclodextrin and its derivatives, its fluorescence spectrum blue - shifted, fluorescence intensity increased, cyclodextrine inclusion capacity of DBBA for the size of SBE - βCD> CM - βCD> -βCD. At the same time, using molecular mechanics The computational and computer simulation techniques predict the optimal configuration of the inclusion complex between DBBA and -βCD.